General Information of the Compound
| Compound ID |
CP0845572
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| Compound Name |
N-((S)-4-(5-(3-cyano-4-isopropoxyphenyl)-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl)-2-((S)-3-hydroxypyrrolidin-1-yl)ethanesulfonamide
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| Structure |
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| Formula |
C27H31N5O5S
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| Molecular Weight |
537.642
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| Canonical SMILES |
CC(C)Oc1ccc(-c2nc(-c3cccc4c3CC[C@@H]4NS(=O)(=O)CCN3CC[C@H](O)C3)no2)cc1C#N
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| InChI |
InChI=1S/C27H31N5O5S/c1-17(2)36-25-9-6-18(14-19(25)15-28)27-29-26(30-37-27)23-5-3-4-22-21(23)7-8-24(22)31-38(34,35)13-12-32-11-10-20(33)16-32/h3-6,9,14,17,20,24,31,33H,7-8,10-13,16H2,1-2H3/t20-,24-/m0/s1
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| InChIKey |
DVHKZMGUWBXEBD-RDPSFJRHSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound